5-[bis(azanyl)methylideneamino]-2-[[1-(2-oxidanyl-3-phenyl-propanoyl)pyrrolidin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[[1-(2-oxidanyl-3-phenyl-propanoyl)pyrrolidin-2-yl]carbonylamino]pentanoic acid Openeye Name: 5-guanidino-2-[[1-(2-hydroxy-3-phenyl-propanoyl)pyrrolidine-2-carbonyl]amino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[[1-(2-hydroxy-1-oxo-3-phenylpropyl)-2-pyrrolidinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[[1-(2-hydroxy-3-phenylpropanoyl)pyrrolidine-2-carbonyl]amino]pentanoic acid Traditional Name: 5-guanidino-2-[[1-(2-hydroxy-3-phenyl-propanoyl)prolyl]amino]valeric acid Formula: C20H29N5O5 MolecularWeight: 419.47476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)O)C(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)O)C(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C20H29N5O5/c21-20(22)23-10-4-8-14(19(29)30)24-17(27)15-9-5-11-25(15)18(28)16(26)12-13-6-2-1-3-7-13/h1-3,6-7,14-16,26H,4-5,8-12H2,(H,24,27)(H,29,30)(H4,21,22,23)